Vitas-M small molecule compound
2-(benzylsulfanyl)-N-(4-ethylphenyl)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STL200327
SMILES COc1ccccc1C1C(=C(C)Nc2n1nc(n2)SCc1ccccc1)C(=O)Nc1ccc(cc1)CC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H29N5O2S MW 511.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O2S/c1-4-20-14-16-22(17-15-20)31-27(35)25-19(2)30-28-32-29(37-18-21-10-6-5-7-11-21)33-34(28)26(25)23-12-8-9-13-24(23)36-3/h5-17,26H,4,18H2,1-3H3,(H,31,35)(H,30,32,33)InChIKey
UDHVXELJRWLLDF-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)N(4ethylphenyl)7(2methoxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
2benzylsulfanylN(4ethylphenyl)7(2methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CCC1=CC=C(C=C1)NC(=O)C2=C(N=C3N=C(NN3C2C4=CC=CC=C4OC)SCC5=CC=CC=C5)C
InChI=1SC29H29N5O2Sc1420141622(171520)3127(35)2519(2)30283229(371821106571121)3334(28)26(25)2312891324(23)363h51726H418H213H3(H3135)(H303233)
MFCD24858142
ZINC000080324680
ZINC000080324685
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